SCHEMBL28862861

SCHEMBL28862861

CN1CCN(c2ccc(Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)nc3C(N)=O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 4/20 0.51
▸ FYN P06241 1/20 0.51
▸ JAK2 O60674 4/20 0.47
▸ JAK3 P52333 2/20 0.46
▸ SLC2A1 P11166 1/20 0.45
▸ TNIK Q9UKE5 1/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCND3 P30281 1/20 0.43
▸ CCNT1 O60563 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CDK11A Q9UQ88 1/20 0.42
▸ EML4 Q9HC35 4/20 0.42
▸ ALK Q9UM73 4/20 0.42
▸ RET P07949 3/20 0.42
▸ ROS1 P08922 3/20 0.42

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
SCHEMBL11031045 0.76 RAD52 (0.55) FYNSLC2A1TNIKCDK4CDK6
SCHEMBL3201300 0.73 JAK2 (0.71) JAK2JAK3
Trifluoroacetic Acid SCHEMBL29875659 0.71 PTK2 (0.44) CHEK1FYNSLC2A1TNIKCDK4
SCHEMBL16332516 0.70 FYN (0.64) FYNCDK4CCNT1CCND1CDK9
SCHEMBL21756262 0.69 CHKA (0.55) FYNCDK4CDK2CCND1CYP1A2
SCHEMBL30007675 0.69 CHEK1 (0.57) CHEK1JAK2JAK3SLC2A1CDK4
SCHEMBL28862907 0.69 CHEK1 (0.57) CHEK1JAK2JAK3SLC2A1CDK4
SCHEMBL16332388 0.69 FYN (0.68) FYNCDK4AURKACCNA2CDK2
SCHEMBL11909295 0.69 CHEK1 (0.58) CHEK1JAK2KMT2A
SCHEMBL11030064 0.69 CHEK1 (0.56) CHEK1SLC2A1CDK4CDK6AURKA

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-115197132-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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