SCHEMBL24606232

SCHEMBL24606232

CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 6/20 1.00
KDR P35968 4/20 1.00
MAP3K5 Q99683 4/20 1.00
JAK2 O60674 3/20 1.00
ABL1 P00519 3/20 1.00
ERBB2 P04626 3/20 1.00
LCK P06239 3/20 1.00
LYN P07948 3/20 1.00
RET P07949 3/20 1.00
PDGFRB P09619 3/20 1.00
KIT P10721 3/20 1.00
FGFR1 P11362 3/20 1.00
CDK4 P11802 3/20 1.00
SRC P12931 3/20 1.00
FGFR3 P22607 3/20 1.00
CCND1 P24385 3/20 1.00
CCNE1 P24864 3/20 1.00
CDK2 P24941 3/20 1.00
FLT3 P36888 3/20 1.00
CDK7 P50613 3/20 1.00

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
SCHEMBL14845612 1.00 PRKCZ (1.00) PRKCZKDRMAP3K5JAK2ABL1
SCHEMBL18808417 1.00 PRKCZ (1.00) PRKCZKDRMAP3K5JAK2ABL1
SCHEMBL20333841 1.00 PRKCZ (1.00) PRKCZKDRMAP3K5JAK2ABL1
SCHEMBL25597915 0.88 PRKCZ (0.78) PRKCZKDRMAP3K5JAK2ABL1
SCHEMBL23259513 0.83 PRKCZ (0.71) PRKCZKDRMAP3K5JAK2ABL1
SCHEMBL19407825 0.82 PRKCZ (0.70) PRKCZKDRMAP3K5JAK2ABL1
SCHEMBL14231500 0.82 ROCK2 (0.70) PRKCZKDRMAP3K5JAK2ABL1
SCHEMBL12632187 0.81 PRKCQ (0.70) PRKCZKDRMAP3K5JAK2ABL1
SCHEMBL29887253 0.81 MAPT (1.00) PRKCZKDRMAP3K5JAK2ABL1
SCHEMBL10026708 0.81 MAPT (1.00) PRKCZKDRMAP3K5JAK2ABL1

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
EP-4186895-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK Medicines Inc. (CN) 2023-05-31 EP disclosed
WO-2022147056-A1 ENHANCED DIFFERENTIATION OF BETA CELLS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-07-07 WO disclosed