SCHEMBL24200601

SCHEMBL24200601

CCC1CN(C)CC1Nc1c(C#N)cnc2c1ccn2[S+]([O-])c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.34
▸ SRC P12931 11/20 0.34
▸ KDR P35968 9/20 0.34
▸ FLT1 P17948 8/20 0.34
▸ ABL1 P00519 7/20 0.34
▸ SYK P43405 5/20 0.34

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
SCHEMBL24200722 0.73 JAK3 (0.50) —
SCHEMBL24200698 0.71 ALDH1A1 (0.36) KDR
SCHEMBL22418526 0.70 HTR6 (0.34) EGFRSRCKDRFLT1ABL1
SCHEMBL22418528 0.70 HTR6 (0.34) EGFRSRCKDRFLT1ABL1
SCHEMBL22418524 0.70 HTR6 (0.34) EGFRSRCKDRFLT1ABL1
SCHEMBL24200804 0.70 JAK3 (0.31) SRC
SCHEMBL28647729 0.69 EGFR (0.36) EGFRSRCKDRFLT1ABL1
SCHEMBL28647730 0.69 EGFR (0.36) EGFRSRCKDRFLT1ABL1
SCHEMBL22436103 0.66 JAK1 (0.36) EGFR
SCHEMBL22436102 0.66 HTR6 (0.35) EGFRSRCKDRFLT1ABL1

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-3939979-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2022-01-19 — — EP disclosed
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