SCHEMBL7673044

SCHEMBL7673044

CCC(CCc1ccncc1)Nc1nc(Cl)nc(C(C)F)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
MAPK1 P28482 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
YTHDC1 Q96MU7 1/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CCNA2 P20248 2/20 0.31
CCNA1 P78396 2/20 0.31
CDK5 Q00535 2/20 0.31
DYRK1A Q13627 2/20 0.31
CDK5R1 Q15078 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA6 Q15825 1/20 0.31

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
SCHEMBL7619327 0.88 CDK2 (0.36) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7955256 0.87 KCNH2 (0.36) MAPK1YTHDC1GAATDP1ALDH1A1
SCHEMBL7607346 0.83 CDK2 (0.34) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7615508 0.81 IDH1 (0.34) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7615960 0.81 CDK1 (0.32) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7606348 0.80 PTGDR (0.33) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7608494 0.80 CDK2 (0.33) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7610838 0.78 CDK1 (0.32) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7613488 0.78 ALDH1A1 (0.33) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7613522 0.77 MEN1 (0.47) CDK2CDK1CDK4CCNB1CCND1

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-6403794-B2 REACTING A BIGUANIDINE WITH AN ALKOXYCARBONYL, OR A SUBSTITUTED TRIAZINE WITH AMMONIA OR AN ALKYLAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-11 US disclosed
US-6346503-B1 PRE- AND POSTEMERGENCE HERBICIDES FOR CROPS LIKE CORN, WHEAT, AND COTTON BAYER AKTIENGESELLSCHAFT (DE) 2002-02-12 US disclosed