SCHEMBL7115452

SCHEMBL7115452

Nc1cccc(N)c1CCn1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 5/20 0.51
▸ CYP19A1 P11511 4/20 0.51
▸ CYP11B1 P15538 3/20 0.49
▸ CYP11B2 P19099 3/20 0.49
▸ HMOX1 P09601 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL13907302 0.80 CYP19A1 (0.56) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL15556913 0.77 CYP19A1 (0.59) TBXAS1CYP19A1HMOX1KMT2AMEN1
SCHEMBL20701924 0.76 PRKCI (0.53) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL15179017 0.76 CYP19A1 (0.64) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL27460992 0.75 TBXAS1 (0.60) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL4316370 0.75 CYP11B1 (0.69) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL409741 0.74 HMOX1 (0.72) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL18940356 0.73 CYP11B1 (0.49) TBXAS1CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL27508985 0.73 CYP11B1 (0.51) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1
Bromide SCHEMBL29223796 0.73 HMOX1 (0.70) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1

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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