SCHEMBL20588679

SCHEMBL20588679

COCCNC(=O)Nc1cc(F)c(Oc2ccnc3c2c(Br)cn3COCC[Si](C)(C)C)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.35
AXL P30530 4/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAP4K1 Q92918 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PABPC1 P11940 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 1/20 0.33
DUSP3 P51452 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL20587523 0.95 MAP4K1 (0.35) METAXLTYRO3MERTKALDH1A1
SCHEMBL20588595 0.93 MAP4K1 (0.34) METAXLSMN1; SMN2MAP4K1RAB9A
SCHEMBL20587612 0.91 ROCK2 (0.33) METAXLSMN1; SMN2MAP4K1RAB9A
SCHEMBL20588120 0.91 ROCK2 (0.40) METAXLTYRO3MERTKALDH1A1
SCHEMBL20588349 0.90 MAP4K1 (0.35) METAXLSMN1; SMN2MAP4K1RAB9A
SCHEMBL20588589 0.90 MAP4K1 (0.40) METAXLTYRO3MERTKMAP4K1
SCHEMBL20588769 0.90 ROCK2 (0.34) METAXLMAP4K1KDRRET
SCHEMBL20588441 0.90 ROCK2 (0.32) METAXLSMN1; SMN2MAP4K1RAB9A
SCHEMBL20588354 0.90 TBK1 (0.36) METAXLMAP4K1KDRTBK1
SCHEMBL20587966 0.89 TBK1 (0.35) METAXLMAP4K1TBK1ROCK2

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-3638669-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
WO-2018228920-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 WO disclosed