SCHEMBL7535607

SCHEMBL7535607

FC(F)(F)c1cc(Nc2nccc(-c3ccccn3)n2)ccc1-n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.54
CDK4 P11802 2/20 0.52
CCND3 P30281 2/20 0.52
GSK3B P49841 2/20 0.52
PIM1 P11309 1/20 0.52
CCNA2 P20248 3/20 0.50
CDK2 P24941 3/20 0.50
CCNA1 P78396 3/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7465702 0.85 CDK4 (0.56) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL7465915 0.80 ABL1 (0.71) SYKABL1PDGFRBBCRSRC
SCHEMBL7535971 0.79 ABL1 (0.55) SYKCYP3A4ABL1PDGFRBBCR
SCHEMBL5732656 0.73 AURKA (0.66) SYKCDK4GSK3BCDK2ABL1
SCHEMBL14651222 0.70 SYK (0.71) SYK
SCHEMBL14651219 0.70 SYK (0.67) SYK
SCHEMBL7464407 0.70 SYK (0.59) SYKCDK4CDK2MEN1LMNA
SCHEMBL14651461 0.69 SYK (0.72) SYKABL1BCRPRKCA
SCHEMBL7535601 0.69 CYP1A2 (0.46) MEN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7469928 0.69 ABL1 (0.64) SYKCDK4GSK3BPIM1CDK2

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-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed