SCHEMBL18976231

SCHEMBL18976231

Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1N(C)C(=O)c1cccc(F)c1N(C)C=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.37
BTK Q06187 2/20 0.37
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
STS P08842 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
POLB P06746 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL20863100 0.79 HSD17B1 (0.38) HSD17B1HSD17B2STSGPBAR1ESR1
SCHEMBL19155482 0.76 JAK2 (0.36) JAK2BTK
SCHEMBL29782721 0.73 BTK (0.40) JAK2BTK
SCHEMBL17699662 0.73 BTK (0.40) JAK2BTK
SCHEMBL29709653 0.69 BTK (0.40) JAK2BTKHSD17B1HSD17B2
SCHEMBL16336718 0.69 BTK (0.40) JAK2BTKHSD17B1HSD17B2
SCHEMBL16183639 0.69 JAK2 (0.51) JAK2BTK
SCHEMBL9796594 0.68 KMT2A (0.42) ESR1ESR2
SCHEMBL3712017 0.68 JAK2 (0.34) JAK2BTK
SCHEMBL21805777 0.68 MEN1 (0.36) JAK2BTK

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
EP-3013814-B1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-14 EP disclosed