SCHEMBL20878976

SCHEMBL20878976

CN(C)Sc1ccc(-c2nn(-c3ccc(NC=O)cc3)c3ncnc(N)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.49
▸ EGFR P00533 11/20 0.49
▸ ABL1 P00519 10/20 0.43
▸ KDR P35968 10/20 0.43
▸ MTOR P42345 10/20 0.43
▸ PIK3CD O00329 9/20 0.43
▸ HCK P08631 9/20 0.43
▸ PIK3CA P42336 9/20 0.43
▸ EPHB4 P54760 9/20 0.43
▸ PRKDC P78527 9/20 0.43
▸ PIK3CG P48736 8/20 0.43
▸ PI4KB Q9UBF8 8/20 0.43
▸ ATR Q13535 1/20 0.41
▸ PIK3CB P42338 7/20 0.40
▸ LIMK1 P53667 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL23047313 0.83 SRC (0.47) SRCEGFRABL1KDRMTOR
SCHEMBL19683619 0.83 SRC (0.56) SRCEGFRABL1KDRMTOR
SCHEMBL19683865 0.81 SRC (0.52) SRCEGFRABL1KDRMTOR
SCHEMBL19683651 0.81 SRC (0.49) SRCEGFRABL1KDRMTOR
SCHEMBL19683638 0.78 SRC (0.49) SRCEGFRABL1KDRMTOR
SCHEMBL20878948 0.77 SRC (0.55) SRCEGFRABL1KDRMTOR
SCHEMBL23170462 0.76 SRC (0.71) SRCEGFRABL1KDRMTOR
SCHEMBL19683785 0.76 EGFR (0.46) SRCEGFRABL1KDRMTOR
SCHEMBL19683742 0.75 KIT (0.47) SRCEGFRABL1KDRMTOR
SCHEMBL20878975 0.73 ADK (0.47) SRCEGFRKDM4ELCKCSF1R

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-3466952-A1 NOVEL INHIBITOR FOR FLT3 KINASE AND USES THEREOF Precedo Pharmaceuticals Co., Ltd. (CN) 2019-04-10 — — EP disclosed
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