SCHEMBL10568771

SCHEMBL10568771

Cc1cccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccc3)c3c2-c2ccccc2OC3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
TP53 P04637 3/20 0.40
PIK3CD O00329 3/20 0.39
PIK3R2 O00459 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
PIK3R5 Q8WYR1 3/20 0.39
PIK3R3 Q92569 3/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
KCNJ6 P48051 3/20 0.35
KCNJ3 P48549 3/20 0.35
KCNJ5 P48544 2/20 0.35

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
SCHEMBL9833141 0.95 KCNJ6 (0.41) MAPTPOLBCCNA2CDK2CCNA1
SCHEMBL9316748 0.92 MAPT (0.44) MAPTPOLBCCNA2CDK2CCNA1
SCHEMBL9831514 0.91 MAPT (0.42) MAPTPOLBCCNA2CDK2CCNA1
SCHEMBL9833916 0.91 MAPT (0.42) MAPTPOLBTP53PIK3CDPIK3R2
SCHEMBL9834929 0.90 CCNA2 (0.41) MAPTPOLBCCNA2CDK2CCNA1
SCHEMBL9834320 0.90 PIK3CD (0.39) MAPTPOLBCCNA2CDK2CCNA1
SCHEMBL9833151 0.88 IDO1 (0.40) MAPTPOLBTP53KCNJ6KCNJ3
SCHEMBL9831823 0.88 MAPT (0.46) MAPTPOLBCCNA2CDK2CCNA1
SCHEMBL9166361 0.88 CCNA2 (0.41) MAPTCCNA2CDK2CCNA1TP53
SCHEMBL9832111 0.88 MAPK14 (0.40) MAPTPOLBTP53PIK3CDPIK3R2

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
US-4816467-A BACTERICIDES, VIRICIDES FARMITALIA CARLO ERBA S.R.L (IT) 1989-03-28 US disclosed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP disclosed