SCHEMBL20331732

SCHEMBL20331732

COc1cc(OC)c(F)c(-c2cc3cnc(C)cc3c(N3CC(C)(OC)C3)n2)c1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.32
▸ MAP3K12 Q12852 3/20 0.31
▸ PDE9A O76083 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ TTK P33981 1/20 0.30
▸ ADAM17 P78536 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ KIT P10721 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
SCHEMBL20332234 0.92 PDE9A (0.36) ABL1PDE9AMAP4K1TTK
SCHEMBL21240064 0.89 PDE9A (0.32) MAP3K12PDE9AMAP4K1
SCHEMBL21252476 0.89 MAP3K12 (0.34) MAP3K12MAP4K1
SCHEMBL21252104 0.86 ABL1 (0.36) ABL1MAP3K12PDE9AMAP4K1TTK
SCHEMBL20331736 0.82 TTK (0.34) ABL1MAP3K12MAP4K1TTK
SCHEMBL21240252 0.81 PDE9A (0.37) PDE9AMAP4K1TTK
SCHEMBL21252283 0.81 MAP3K12 (0.32) MAP3K12MAP4K1
SCHEMBL21251781 0.80 JAK2 (0.36) MAP3K12TTK
SCHEMBL21252119 0.80 PDE9A (0.36) PDE9ATTKCSF1R
SCHEMBL20332232 0.79 PDE10A (0.37) TTK

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
EP-3524603-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2019-08-14 — — EP disclosed
WO-2018113584-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2018-06-28 — — WO disclosed
Send feedback