SCHEMBL4748341

SCHEMBL4748341

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
MERTK Q12866 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
SCHEMBL4750646 0.86 MERTK (0.36) MERTK
SCHEMBL4750933 0.77 KDM4E (0.41) MERTK
SCHEMBL4698939 0.71 EDNRB (0.32)
SCHEMBL4698935 0.69 BCHE (0.40)
SCHEMBL1786801 0.66 AURKA (0.35)
SCHEMBL27657898 0.64 CYP2D6 (0.43)
SCHEMBL4748527 0.63 AURKA (0.46) MERTK
SCHEMBL4699368 0.63 AURKA (0.46) MERTK
SCHEMBL4698505 0.63 AURKA (0.46) MERTK
SCHEMBL4697193 0.61 KDM4E (0.47) MERTK

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