SCHEMBL1921885

SCHEMBL1921885

Cc1ccc(Nc2cccc3c2CCN(C2CCSCC2)C3)cc1-c1ccc(F)cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.32
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
ABL1 P00519 2/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
GRM5 P41594 2/20 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
SCHEMBL2032777 0.89 BRD9 (0.35) ADRA2CBRD4BRD9ABL1
SCHEMBL1922278 0.87 AVPR2 (0.32) BRD4BRD9AVPR2AVPR1A
SCHEMBL1924064 0.86 NAMPT (0.34) BRD4BRD9ABL1GRM5
SCHEMBL1922613 0.84 HRH3 (0.30) BRD4BRD9
SCHEMBL1921947 0.82 AVPR2 (0.32) BRD4BRD9ABL1AVPR2AVPR1A
SCHEMBL2025699 0.82 BRD9 (0.35) BRD4BRD9ABL1GRM5
SCHEMBL303148 0.80 JAK2 (0.44) BRD4BRD9
SCHEMBL1922118 0.79 NAMPT (0.34) BRD4BRD9ABL1GRM5
SCHEMBL2030372 0.79 NAMPT (0.34) BRD4BRD9ABL1GRM5
SCHEMBL2028548 0.79 NAMPT (0.34) BRD4BRD9ABL1GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO disclosed