SCHEMBL8549607

SCHEMBL8549607

Cn1ccc2cc(Nc3cnccc3N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HTR2B P41595 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR2C P28335 2/20 0.49
EGFR P00533 1/20 0.48
PRKCI P41743 1/20 0.45
GRM4 Q14833 1/20 0.45
JAK2 O60674 2/20 0.42
PIK3CB P42338 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8550246 0.79 HTR2B (0.48) MAPTHTR2BKDM4EMEN1TP53
SCHEMBL8789947 0.79 KMT2A (0.51) MAPTHTR2BKDM4EMEN1TP53
SCHEMBL8544057 0.71 EGFR (0.48) EGFRPRKCQPRKCDMAPK14
SCHEMBL16068103 0.70 GAA (0.58) MAPTKDM4ETP53TDP1
SCHEMBL8543006 0.70 FGFR2 (0.55) EGFRPRKCIJAK2PRKCQPRKCD
SCHEMBL8543878 0.70 MAPKAPK2 (0.56) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL31735804 0.69 BRD4 (0.45) MAPTHTR2BKDM4EMEN1TP53
SCHEMBL8944979 0.69 HTR2B (0.74) MAPTHTR2BKDM4EMEN1TP53
SCHEMBL31735577 0.68 BPTF (0.60) MAPTHTR2BKDM4EMEN1TP53
SCHEMBL31035921 0.68 PRKCI (0.55) MAPTHTR2BKDM4EMEN1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4970219-A TOPICAL ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US claimed
EP-0405425-B1 Heteroarylamino- and heteroaryloxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-08-12 EP disclosed
US-5405856-A Skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-04-11 US disclosed
US-5221682-A Skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-22 US disclosed
US-5034403-A Topical antiinflammatory agents for skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-07-23 US disclosed
US-4983615-A ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-01-08 US disclosed
EP-0405425-A2 Heteroarylamino- and heteroaryloxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4970219-A TOPICAL ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US disclosed