SCHEMBL18683972

SCHEMBL18683972

CC(C)C(CO)Nc1nc(N2CCN(c3ccncc3)CC2)nc2c1SCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 9/20 0.36
▸ CDK2 P24941 9/20 0.36
▸ CCNA1 P78396 9/20 0.36
▸ CDK5 Q00535 9/20 0.36
▸ DYRK1A Q13627 9/20 0.36
▸ CDK5R1 Q15078 9/20 0.36
▸ EGFR P00533 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ TRPV3 Q8NET8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GGPS1 O95749 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
SCHEMBL18684025 0.90 CCNA2 (0.38) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL18684006 0.88 EGFR (0.33) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL18683881 0.87 SORD (0.40) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL18684004 0.83 SLC27A1 (0.34) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL18684003 0.83 SLC27A1 (0.34) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL18684005 0.81 PANK3 (0.39) ALDH1A1MEN1KMT2ATRPV3LMNA
SCHEMBL18683973 0.81 CCNA2 (0.31) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL4071055 0.80 CETP (0.36) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL7715595 0.79 CCNA2 (0.33) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL194327 0.79 CCNA2 (0.33) CCNA2CDK2CCNA1CDK5DYRK1A

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
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 — — EP disclosed
Send feedback