SCHEMBL9603380

SCHEMBL9603380

Cc1cccc(NC(=C(C#N)c2nnn[nH]2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GRM5 P41594 5/20 0.41
▸ ATM Q13315 2/20 0.41
▸ GBA1 P04062 1/20 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
SCHEMBL9595952 0.84 KMT2A (0.42) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL9587269 0.77 ALDH1A1 (0.55) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL11596891 0.73 GRM5 (0.57) RAB9ANPC1SMN1; SMN2GRM5
SCHEMBL9603546 0.73 KMT2A (0.41) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL8998970 0.71 ESR1 (0.39) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL8998974 0.71 ESR1 (0.39) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL9597956 0.69 SGMS2 (0.36) KMT2A
SCHEMBL9753586 0.64 RAB9A (0.88) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL11606669 0.63 KMT2A (0.51) KMT2AMEN1GRM5
SCHEMBL11613075 0.62 KMT2A (0.50) KMT2AMEN1GRM5

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-1993016076-A1 3-(1H^_-TETRAZOL-5-YL)-4H^_-PYRIDO[1,2-A^_]PYRIMIDINE-4-ONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 — — WO disclosed
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