SCHEMBL30019218

SCHEMBL30019218

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ccn(CC3CCOCC3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.61
SRC P12931 2/20 0.54
TNK2 Q07912 2/20 0.54
JAK2 O60674 2/20 0.53
ALK Q9UM73 2/20 0.53
BRD4 O60885 1/20 0.53
INSR P06213 1/20 0.53
LRRK2 Q5S007 2/20 0.51
EGFR P00533 5/20 0.51
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CDK6 Q00534 1/20 0.50
DCLK1 O15075 1/20 0.50
MAPK7 Q13164 1/20 0.50

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
SCHEMBL30017933 0.91 TNK2 (0.55) TTKSRCTNK2JAK2ALK
SCHEMBL30020145 0.87 TNK2 (0.68) TTKSRCTNK2JAK2ALK
SCHEMBL30019954 0.86 TNK2 (0.48) TTKSRCTNK2JAK2ALK
SCHEMBL30019212 0.86 STAT6 (0.62) SRCINSRCDK4CCND1
SCHEMBL30019765 0.84 JAK2 (0.55) SRCJAK2BRD4INSRCDK4
SCHEMBL30019414 0.82 STAT6 (0.44) TTKSRCTNK2JAK2ALK
SCHEMBL29714294 0.80 TTK (0.62) TTKEGFRCDK4CCND1CDK6
SCHEMBL27196749 0.80 TTK (0.62) TTKEGFRCDK4CCND1CDK6
SCHEMBL30019426 0.80 TNK2 (0.67) TTKSRCTNK2JAK2ALK
SCHEMBL30019432 0.79 TNK2 (0.57) SRCTNK2JAK2BRD4

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