SCHEMBL28098733

SCHEMBL28098733

CC1(C)N=C(c2ccc3ccc(C#N)n3n2)c2cccc(F)c2C1(F)F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.32

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
SCHEMBL28098570 0.81 CA1 (0.33) TGFBR1
SCHEMBL18280674 0.80 GABRA1 (0.31)
SCHEMBL17001482 0.74
SCHEMBL28098723 0.72
SCHEMBL18289298 0.71 GABRA1 (0.37) TGFBR1
SCHEMBL18289265 0.70 GABRG2 (0.32)
SCHEMBL18280673 0.69
SCHEMBL20301474 0.69 NPC1 (0.40)
SCHEMBL18289291 0.66 GABRG2 (0.30)
SCHEMBL20300689 0.65 NPC1 (0.35)

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
CN-105960402-A Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2016-09-21 CN disclosed