SCHEMBL17780481

SCHEMBL17780481

CC1CCC(N2c3nc(Nc4cnc5[nH]ncc5c4)ncc3N(c3ccc(N4CCN(C)CC4)c(C#N)c3)C(=O)[C@H]2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.41
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
CSF1R P07333 4/20 0.41
CCNT1 O60563 3/20 0.41
FYN P06241 3/20 0.41
RET P07949 3/20 0.41
FGFR1 P11362 3/20 0.41
FLT3 P36888 3/20 0.41
CDK7 P50613 3/20 0.41
CDK5 Q00535 3/20 0.41
PRKAA1 Q13131 3/20 0.41
CDK6 Q00534 2/20 0.41
ABL1 P00519 2/20 0.41
PDGFRB P09619 2/20 0.41
PIK3CD O00329 1/20 0.41
PRKAB2 O43741 1/20 0.41
NUAK1 O60285 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 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
SCHEMBL17780478 1.00 CDK9 (0.41) CDK9CDK4CCND1CSF1RCCNT1
SCHEMBL17780416 0.90 CDK9 (0.40) CDK9CDK4CCND1CSF1RCCNT1
SCHEMBL17780419 0.90 CDK9 (0.40) CDK9CDK4CCND1CSF1RCCNT1
SCHEMBL17780480 0.88 PLK1 (0.39) NUAK1BRD4TAF1PLK1TBK1
SCHEMBL17780482 0.88 PLK1 (0.39) NUAK1BRD4TAF1PLK1TBK1
SCHEMBL17780372 0.86 ALK (0.35) CSF1RFYNRETFGFR1FLT3
SCHEMBL17780376 0.86 ALK (0.35) CSF1RFYNRETFGFR1FLT3
SCHEMBL17780449 0.86 BRD4 (0.39) BRD4TAF1LRRK2JAK2PLK1
SCHEMBL17780436 0.85 CDK4 (0.44) CDK9CDK4CCND1CSF1RCCNT1
SCHEMBL17780495 0.84 CDK9 (0.39) CDK9CDK4CCND1CSF1RCCNT1

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
US-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US claimed