SCHEMBL21744565

SCHEMBL21744565

COC(=O)COc1ccc(-n2cc(F)cn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.44
MAPT P10636 2/20 0.43
SYK P43405 3/20 0.42
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
PTGS2 P35354 1/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL21744557 0.86 EGLN1 (0.44) EGLN1ALDH1A1
SCHEMBL30250133 0.81 EGLN1 (0.46) EGLN1ALDH1A1MEN1KMT2A
SCHEMBL28414160 0.81 EGLN1 (0.46) EGLN1ALDH1A1MEN1KMT2A
SCHEMBL24921531 0.80 EGLN1 (0.50) EGLN1MAPTMEN1KMT2AKDM4E
SCHEMBL22534381 0.76 RAB9A (0.49) EGLN1MAPTMEN1KMT2AMAPK1
SCHEMBL31435187 0.73 EGLN1 (0.48) EGLN1MAPTALDH1A1MEN1KMT2A
SCHEMBL28435954 0.72 HDAC4 (0.40) EGLN1MAPTALDH1A1KDM4E
SCHEMBL28441796 0.72 EGLN1 (0.44) EGLN1
SCHEMBL28434522 0.72 KMT2A (0.41) EGLN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30451998 0.72 HDAC4 (0.40) EGLN1MAPTALDH1A1KDM4E

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
WO-2020035065-A1 PYRAZOLE DERIVATIVE AS RET INHIBITOR 南京明德新药研发有限公司 2020-02-20 WO disclosed