SCHEMBL2556785

SCHEMBL2556785

O=C1c2c3ccccc3nn2CCN1CC1CCCN(CCc2ccccc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
BLM P54132 1/20 0.42
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.39
CCR3 P51677 2/20 0.39
CXCR4 P61073 1/20 0.37
GRM2 Q14416 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
HTR2A P28223 1/20 0.35
GNRHR P30968 1/20 0.35

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
Hydrochloric Acid SCHEMBL14633797 0.99 KMT2A (0.44) KMT2ABLMMEN1NPC1CCR3
Hydrochloric Acid SCHEMBL2554729 0.95 KMT2A (0.42) KMT2ABLMMEN1NPC1CCR3
SCHEMBL2554628 0.89 HTR2A (0.41) CCR3GRM2HTR2A
SCHEMBL2551227 0.87 SLC6A2 (0.47) KMT2AMEN1CCR3
Hydrochloric Acid SCHEMBL14633798 0.86 SLC6A2 (0.46) KMT2AMEN1CCR3
Hydrochloric Acid SCHEMBL2553261 0.83 SLC6A2 (0.46) KMT2AMEN1CCR3
SCHEMBL16390898 0.79 SLC6A2 (0.46) KMT2AMEN1CCR3
SCHEMBL2555053 0.76 SSTR5 (0.42) HTR2A
Hydrochloric Acid SCHEMBL14633467 0.75 KCNH2 (0.42)
SCHEMBL2553797 0.75 CCR3 (0.47) CCR3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556074-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO - A.C.R.A.F. - S.p.A. (IT) 2013-02-13 EP disclosed
WO-2011124430-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-10-13 WO disclosed