SCHEMBL29875589

SCHEMBL29875589

CN1CCN(c2ccc(Nc3nc4ccccc4nc3C(N)=O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 8/20 0.58
▸ ROS1 P08922 8/20 0.58
▸ FLT3 P36888 8/20 0.58
▸ EML4 Q9HC35 6/20 0.58
▸ ALK Q9UM73 6/20 0.58
▸ ADRA2A P08913 2/20 0.55
▸ ADRA2B P18089 2/20 0.55
▸ ADRA2C P18825 2/20 0.55
▸ SLC2A1 P11166 2/20 0.55
▸ KDM1A O60341 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ ADRB2 P07550 1/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ DRD1 P21728 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ ADRA1D P25100 1/20 0.53

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
SCHEMBL28891673 1.00 RET (0.58) RETROS1FLT3EML4ALK
SCHEMBL13405469 0.89 PIM1 (0.52) RETROS1FLT3EML4ALK
SCHEMBL13405471 0.88 MAPT (0.53) RETROS1FLT3EML4ALK
SCHEMBL13405489 0.87 PIM1 (0.64) RETROS1FLT3EML4ALK
SCHEMBL28891852 0.83 EML4 (0.47) RETROS1FLT3EML4ALK
SCHEMBL29876463 0.83 EML4 (0.47) RETROS1FLT3EML4ALK
SCHEMBL28891647 0.81 RET (0.50) RETROS1FLT3EML4ALK
SCHEMBL10127376 0.80 EML4 (0.67) RETROS1FLT3EML4ALK
SCHEMBL282875 0.80 RET (0.55) RETROS1FLT3EML4ALK
SCHEMBL10128020 0.80 RET (0.69) RETROS1FLT3EML4ALK

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
CN-115197154-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-10-18 — — CN disclosed
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