SCHEMBL9939246

SCHEMBL9939246

O=CCN1CCCC(Cn2ncc3c([N+](=O)[O-])cccc32)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL9938796 0.82 BRD4 (0.41) HTT
SCHEMBL15312700 0.81 BTK (0.39) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9942427 0.81 KMT2A (0.33) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL27227914 0.80 GRM2 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL30860962 0.80 GRM2 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL27940202 0.78 KMT2A (0.41) ALDH1A1LMNAHTT
SCHEMBL4554503 0.78 TDP1 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL9941478 0.76 MERTK (0.39)
SCHEMBL15312796 0.76 HTR6 (0.43) CYP2C9
SCHEMBL27940167 0.76 MAPT (0.35) KDM4EALDH1A1LMNAHTTSMN1; SMN2

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-2651939-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2013-10-23 EP disclosed
WO-2012082689-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-06-21 WO disclosed