SCHEMBL1913587

SCHEMBL1913587

CC(C)n1cnc2c(-c3cnc(N)cn3)nc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.48
▸ CDK5 Q00535 10/20 0.48
▸ CDK5R1 Q15078 10/20 0.48
▸ CCNA2 P20248 10/20 0.48
▸ CCNA1 P78396 10/20 0.48
▸ DYRK1A Q13627 8/20 0.48
▸ CDK1 P06493 6/20 0.47
▸ CCNB1 P14635 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ PIK3CA P42336 2/20 0.45
▸ MTOR P42345 2/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ PIK3C3 Q8NEB9 1/20 0.45
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PI4KA P42356 1/20 0.41

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
SCHEMBL1578570 0.88 PIK3CA (0.49) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL1913382 0.86 PIK3CA (0.60) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL539257 0.80 PIK3CA (0.62) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL1913604 0.78 MTOR (0.42) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL3441256 0.77 CDK2 (0.71) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL28712236 0.76 CDK2 (0.49) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL1913389 0.74 YTHDC1 (0.54) CDK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL1913668 0.74 MTOR (0.80) CDK2CDK5CCNA2CCNA1CDK1
SCHEMBL22587405 0.74 CDK1 (0.58) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL539356 0.74 CDK2 (0.56) CDK2CDK5CDK5R1CCNA2CCNA1

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
WO-2011078795-A1 BRIDGED MORPHOLINO SUBSTITUTED PURINES S*BIO PTE LTD (SG) 2011-06-30 — — WO disclosed
WO-2011078795-A1 BRIDGED MORPHOLINO SUBSTITUTED PURINES S*BIO PTE LTD (SG) 2011-06-30 — — WO disclosed
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