SCHEMBL30020145

SCHEMBL30020145

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccn(CC3CCCO3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 7/20 0.68
SRC P12931 4/20 0.68
JAK2 O60674 2/20 0.66
ALK Q9UM73 1/20 0.66
TTK P33981 8/20 0.57
BRD4 O60885 1/20 0.52
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
CDK6 Q00534 1/20 0.51
EGFR P00533 3/20 0.49

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
SCHEMBL30019426 0.92 TNK2 (0.67) TNK2SRCJAK2ALKTTK
SCHEMBL30019218 0.87 TTK (0.61) TNK2SRCJAK2ALKTTK
SCHEMBL30019375 0.87 TNK2 (0.53) TNK2SRCJAK2ALK
SCHEMBL30019409 0.87 TNK2 (0.53) TNK2SRCJAK2ALK
SCHEMBL30019421 0.86 TNK2 (0.63) TNK2SRCJAK2ALKTTK
SCHEMBL30017946 0.86 TNK2 (0.63) TNK2SRCJAK2ALKCDK4
SCHEMBL30019519 0.84 TNK2 (0.55) TNK2SRCJAK2ALKBRD4
SCHEMBL30017933 0.80 TNK2 (0.55) TNK2SRCJAK2ALKTTK
SCHEMBL30020151 0.80 TNK2 (0.70) TNK2SRC
SCHEMBL18488284 0.80 TNK2 (1.00) TNK2SRCJAK2ALKEGFR

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
WO-2022226290-A1 2-PHENYLAMINO PYRROLOPYRIMIDINES AS ACK1 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-10-27 WO disclosed