SCHEMBL29350344

SCHEMBL29350344

CNc1cnc(Oc2ccc(-c3ccc(F)cc3)nc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ MET P08581 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37

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
SCHEMBL22530943 1.00 MAPK8 (0.38) MAPK8MAPK14AURKAABL1NTRK1
SCHEMBL29352599 0.89 MEN1 (0.43) MAPK8MAPK14PDGFRBPDGFRACHRNA7
SCHEMBL22529970 0.89 MEN1 (0.43) MAPK8MAPK14PDGFRBPDGFRACHRNA7
SCHEMBL22530094 0.82 KDM4E (0.43) MAPK8MAPK14AURKAABL1NTRK1
SCHEMBL29351821 0.82 KDM4E (0.43) MAPK8MAPK14AURKAABL1NTRK1
SCHEMBL22529924 0.81 AURKA (0.38) MAPK8MAPK14AURKAABL1NTRK1
SCHEMBL29352030 0.81 AURKA (0.38) MAPK8MAPK14AURKAABL1NTRK1
SCHEMBL22530425 0.79 ALDH1A1 (0.57) MAPK8MAPK14AURKAABL1NTRK1
SCHEMBL22530743 0.78 HSPB1 (0.46) KDM4EMEN1KMT2ANPC1RXFP1
SCHEMBL29351840 0.78 HSPB1 (0.46) KDM4EMEN1KMT2ANPC1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 — — CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 — — CN disclosed
EP-3953335-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Cellestia Biotech AG (CH) 2022-02-16 — — EP disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 — — CN disclosed
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