SCHEMBL18800874

SCHEMBL18800874

N=C(N)c1c(N)cnc(-c2ccc(C(=O)N3CCCC3)cc2)c1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ SLC6A7 Q99884 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.41
▸ F10 P00742 5/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ ATR Q13535 2/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BTK Q06187 2/20 0.39

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
SCHEMBL18800765 0.85 BTK (0.41) F10NPC1RAB9ABTKTNK2
SCHEMBL16168173 0.80 TNK2 (0.43) HPGDMEN1KMT2ALMNAPOLB
SCHEMBL6115994 0.78 BTK (0.56) BTK
SCHEMBL18800556 0.77 ATR (0.44) HTTSLC6A7HPGDHRH3F10
SCHEMBL18800807 0.73 ATR (0.48) HTTHPGDF10ATRTSHR
SCHEMBL6116222 0.72 BTK (0.68) BTK
SCHEMBL18800703 0.72 BTK (0.52) BTKEGFRPARP14PARP10
SCHEMBL18800912 0.71 PARP14 (0.51) HTTPRSS1PRSS2PRSS3BTK
SCHEMBL18800767 0.71 RAB9A (0.48) HPGDF10ATRMEN1KMT2A
SCHEMBL25423645 0.71 BTK (0.46) BTKEGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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