SCHEMBL7122140

SCHEMBL7122140

O=C(Cn1ccnc1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ PKM P14618 1/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP19A1 P11511 2/20 0.54
▸ EGFR P00533 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ CYP11B1 P15538 1/20 0.53

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
SCHEMBL76457 0.82 EGFR (0.51) SMN1; SMN2MEN1KMT2ACA12CA1
SCHEMBL1356022 0.80 ALDH1A1 (0.53) L3MBTL1CYP2D6CYP2C19CYP1A2ALDH1A1
SCHEMBL13489990 0.80 KDM4E (0.53) L3MBTL1CYP2D6CYP2C19CYP1A2ALDH1A1
SCHEMBL21076446 0.79 MGLL (0.62) ALDH1A1CYP19A1
SCHEMBL7115992 0.79 CYP19A1 (0.72) L3MBTL1SMN1; SMN2CA12CA1CA2
SCHEMBL5141415 0.77 MEN1 (0.75) L3MBTL1SMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL76413 0.77 MGLL (0.49) L3MBTL1ALDH1A1CYP19A1
SCHEMBL5903400 0.76 POLB (0.66) L3MBTL1MEN1KMT2AALDH1A1CYP19A1
SCHEMBL3260049 0.75 CYP2D6 (0.95) SMN1; SMN2MEN1KMT2ACYP2D6CYP2C19
SCHEMBL17675670 0.75 MGLL (0.57) SMN1; SMN2MEN1KMT2AALDH1A1CYP19A1

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
WO-2003026664-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO) -PYRAMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, SRC KINASE INHIBITORS BAYER CORPORATION (US) 2003-04-03 — — WO disclosed
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