SCHEMBL13846259

SCHEMBL13846259

NCC(C1CCCC1)n1cc(-c2ccnc(Nc3cccc(C(=O)N4CCN(CCO)CC4)c3)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.45
▸ BMPR1B O00238 1/20 0.44
▸ BMPR1A P36894 1/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ ACVRL1 P37023 1/20 0.44
▸ ACVR1 Q04771 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ SMG1 Q96Q15 1/20 0.44
▸ ABL1 P00519 7/20 0.41
▸ PDGFRB P09619 3/20 0.41
▸ KIT P10721 1/20 0.41
▸ BCR P11274 5/20 0.40
▸ SRC P12931 3/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ BTK Q06187 4/20 0.40
▸ EGFR P00533 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39

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
SCHEMBL3309310 0.91 ABL1 (0.46) SYKBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3309348 0.83 JAK1 (0.49) SYKMTORSMG1ABL1PDGFRB
SCHEMBL3316015 0.83 JAK2 (0.48) BMPR1BMTORSMG1ABL1PDGFRB
SCHEMBL3310237 0.83 JAK2 (0.48) BMPR1BMTORSMG1ABL1PDGFRB
SCHEMBL2356980 0.82 CDK2 (0.49) SYKBMPR1BABL1KITBCR
SCHEMBL3312256 0.82 JAK2 (0.48) BMPR1BMTORSMG1ABL1KIT
SCHEMBL2359371 0.81 JAK2 (0.47) BMPR1BMTORSMG1ABL1PDGFRB
SCHEMBL13846245 0.81 ABL1 (0.53) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL3377981 0.81 SYK (0.43) SYKBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2356206 0.81 JAK2 (0.45) SYKBMPR1BMTORSMG1ABL1

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-2009064835-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-05-22 — — WO disclosed
Send feedback