SCHEMBL28429024

SCHEMBL28429024

CNc1ccc(-n2cc(Cl)cn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.40
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GCG P01275 1/20 0.31

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
SCHEMBL28707601 0.81 ALDH1A1 (0.35) EGLN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL28535799 0.78 GCGR (0.45) ALDH1A1KDM4EGCG
SCHEMBL28938106 0.76 EGLN1 (0.43) EGLN1ALDH1A1
SCHEMBL23957696 0.76 EGLN1 (0.43) EGLN1ALDH1A1
SCHEMBL12989502 0.75 EGLN1 (0.47) EGLN1
SCHEMBL28938099 0.74 EGLN1 (0.40) EGLN1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL28236753 0.72 KDM4E (0.54) RAB9AKMT2AALDH1A1CYP1A2HPGD
SCHEMBL15739713 0.72 LMNA (0.46) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23957800 0.72 KCNJ1 (0.56) EGLN1KMT2A
SCHEMBL23929975 0.72 EGLN1 (0.45) EGLN1ALDH1A1CYP1A2CYP3A4CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423416-B Inhibitors of RET 缆图药品公司 2023-05-26 CN disclosed
CN-111423416-A Inhibitors of RET 蓝图药品公司 2020-07-17 CN disclosed
CN-108473468-B Inhibitors of RET 蓝图药品公司 2020-06-16 CN disclosed