SCHEMBL9603546

SCHEMBL9603546

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ RAB9A P51151 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GRM5 P41594 3/20 0.35
▸ GAA P10253 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ TNNC1 P63316 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL9595820 0.82 NOS3 (0.36) KMT2AMEN1MAPTNPSR1CREBBP
SCHEMBL9588376 0.79 KMT2A (0.52) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL9594788 0.78 RAB9A (0.39) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL9595934 0.77 KMT2A (0.45) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL9595952 0.77 KMT2A (0.42) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL10991118 0.75 MAPT (0.33) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL10996793 0.75 MAPT (0.33) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL9038730 0.74 MAPT (0.43) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL9038722 0.74 MAPT (0.43) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL10993495 0.74 GAA (0.32) KMT2AMEN1MAPTLMNAGAA

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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