SCHEMBL21251963

SCHEMBL21251963

COc1cc(OC)c(F)c(/C(N)=C/c2cnc(SC)nc2C=O)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 8/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDE4A P27815 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ PDE11A Q9HCR9 2/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 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
SCHEMBL24488175 0.90 MEN1 (0.35) PDE4BMEN1KMT2APDE4APDE4C
SCHEMBL20331075 0.86 MEN1 (0.33) PDE4BMEN1KMT2AMAPTKDM4E
SCHEMBL24488264 0.78 P2RX3 (0.36) KDM4EALDH1A1
SCHEMBL20331456 0.76 MEN1 (0.41) PDE4BMEN1KMT2AMAPTKDM4E
SCHEMBL20330599 0.73 MEN1 (0.38) PDE4BMEN1KMT2AMAPTGAA
SCHEMBL21251874 0.69 FGFR4 (0.35) PDE4BMEN1KMT2AMAPT
SCHEMBL21251673 0.66 P2RX3 (0.35) —
SCHEMBL24488280 0.64 FGFR1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL18981723 0.64 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1
SCHEMBL6206210 0.63 KDM4E (0.31) MEN1KMT2AKDM4E

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
WO-2019242587-A1 HIGHLY SELECTIVE FGFR I INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2019-12-26 — — WO disclosed
EP-3524603-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2019-08-14 — — EP disclosed
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