SCHEMBL4750646

SCHEMBL4750646

CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@@]4(Cc5ccccc5)CCCNC4)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.36
TNK2 Q07912 10/20 0.32
LCK P06239 9/20 0.32
KDR P35968 3/20 0.32
EGFR P00533 2/20 0.32
SRC P12931 2/20 0.32
ZAP70 P43403 2/20 0.32
JAK3 P52333 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
UBE2N P61088 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AURKA O14965 2/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL4750933 0.92 KDM4E (0.41) MERTKTNK2LCKKDREGFR
SCHEMBL4748341 0.86 ITGB1 (0.31) MERTK
SCHEMBL1786399 0.78 ALOX5AP (0.41) MERTKTNK2LCK
Formic Acid SCHEMBL1787399 0.74 ALOX5AP (0.38) MERTKTNK2EGFR
SCHEMBL1784897 0.72 AURKA (0.39) TNK2KDREGFRKDM4EALDH1A1
SCHEMBL14467227 0.72 AURKA (0.36) MERTKTNK2LCKEGFRKDM4E
SCHEMBL3124995 0.72 MERTK (0.34) MERTKTNK2LCKKDRKDM4E
SCHEMBL1787745 0.72 AURKA (0.36) MERTKTNK2LCKEGFRKDM4E
SCHEMBL3125001 0.72 AURKA (0.36) MERTKTNK2LCKEGFRKDM4E
SCHEMBL4750648 0.72 LCK (0.41) TNK2LCKKDREGFRSRC

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
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed