SCHEMBL27132009

SCHEMBL27132009

CCN1C(C)CN(c2nnc3cnc4ccc(-c5ccc(N6CCC(N(C)C)CC6)c(C(F)(F)F)c5)nc4n23)C[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ CSF1R P07333 3/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32
▸ NOTUM Q6P988 2/20 0.32
▸ MELK Q14680 1/20 0.32
▸ CCNA2 P20248 3/20 0.32
▸ CDK2 P24941 3/20 0.32

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
SCHEMBL21541766 1.00 EML4 (0.34) EML4ALKCSF1RCDK4CDK6
SCHEMBL21541779 0.92 CDK4 (0.35) CSF1RCDK4CDK6MTORHSD11B1
SCHEMBL29558902 0.92 CDK4 (0.35) CSF1RCDK4CDK6MTORHSD11B1
SCHEMBL21541733 0.91 CDK4 (0.37) CSF1RCDK4CDK6MTORS1PR1
SCHEMBL21541746 0.90 CDK4 (0.37) CSF1RCDK4CDK6MTORHSD11B1
SCHEMBL21541716 0.89 CDK4 (0.34) CSF1RCDK4CDK6MTORHSD11B1
SCHEMBL21541857 0.89 CDK4 (0.35) CSF1RCDK4CDK6S1PR1FGFR3
SCHEMBL21541796 0.88 PRKDC (0.37) EML4ALKCSF1RCDK4CDK6
SCHEMBL27123583 0.88 PRKDC (0.37) EML4ALKCSF1RCDK4CDK6
SCHEMBL21541808 0.88 S1PR1 (0.37) CSF1RCDK4CDK6MTORS1PR1

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
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — EP disclosed
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