SCHEMBL17955528

SCHEMBL17955528

CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(SC(=O)c3ccccc3)ccc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ AGPAT2 O15120 1/20 0.35
▸ PTGER4 P35408 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ GLA P06280 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 1/20 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
SCHEMBL14684602 0.88 POLB (0.44) POLBHPGDGLAHSD17B10ALDH1A1
SCHEMBL14678088 0.82 POLB (0.40) POLBAGPAT2JAK2JAK1TYK2
SCHEMBL15868312 0.81 POLB (0.37) POLBAGPAT2HSD17B10KDM4EALDH1A1
SCHEMBL14678186 0.80 POLB (0.36) POLBAGPAT2JAK2JAK1TYK2
SCHEMBL15868317 0.80 POLB (0.38) POLBAGPAT2JAK2JAK1TYK2
SCHEMBL14677213 0.79 POLB (0.38) POLBAGPAT2JAK2JAK1TYK2
SCHEMBL29431596 0.78 POLB (0.35) POLBAGPAT2JAK2JAK1TYK2
SCHEMBL14677038 0.78 POLB (0.35) POLBAGPAT2JAK2JAK1TYK2
SCHEMBL17009004 0.77 POLB (0.37) POLBAGPAT2KDM4EALDH1A1NPC1
SCHEMBL17896030 0.77 POLB (0.39) POLB

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
US-9403771-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-02 — — US disclosed
US-9403771-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-02 — — US disclosed
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