SCHEMBL29854843

SCHEMBL29854843

c1cn2c(C3CCNC3)ncc2cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.41
▸ CHRNB2 P17787 3/20 0.35
▸ CHRNA4 P43681 3/20 0.35
▸ HPGDS O60760 1/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CCNK O75909 2/20 0.32
▸ CDK12 Q9NYV4 2/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CHEK1 O14757 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30

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
SCHEMBL23851626 0.82 PDE1C (0.37) SSTR4
SCHEMBL25285831 0.81 HPGDS (0.42) SSTR4HPGDSCHEK1
SCHEMBL23851633 0.80 AURKA (0.36) SSTR4CDK2
SCHEMBL5880422 0.78 AURKA (0.41) SSTR4CCNA2CDK2
SCHEMBL31153589 0.75 SSTR4 (0.34) SSTR4
SCHEMBL17895133 0.74 HTR3A (0.36) CHRNB2CHRNA4HPGDSCHRNB4CHRNA3
SCHEMBL31153530 0.73 PDE1C (0.36) SSTR4
SCHEMBL21404552 0.73 MAPK8 (0.33) SSTR4
SCHEMBL21404470 0.73 TNK2 (0.35) SSTR4
SCHEMBL7547733 0.71 KDM4E (0.44) HPGDSHTR2CCHEK1

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
CN-115433190-B Preparation method and application of irreversible heterocyclic compound FGFR inhibitor 药雅科技(上海)有限公司 2024-09-20 — — CN disclosed
WO-2022166469-A1 FGFR KINASE INHIBITOR AND USE THEREOF 药雅科技(上海)有限公司 2022-08-11 — — WO disclosed
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