SCHEMBL31060183

SCHEMBL31060183

CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)n[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.73
▸ AURKA O14965 7/20 0.73
▸ JAK3 P52333 6/20 0.73
▸ JAK2 O60674 6/20 0.73
▸ IGF1R P08069 3/20 0.73
▸ NTRK3 Q16288 2/20 0.73
▸ NTRK2 Q16620 2/20 0.73
▸ RET P07949 2/20 0.73
▸ FGFR1 P11362 2/20 0.73
▸ FLT3 P36888 2/20 0.73
▸ PTK2 Q05397 2/20 0.73
▸ TNK2 Q07912 2/20 0.73
▸ LCK P06239 1/20 0.73
▸ FYN P06241 1/20 0.73
▸ FLT1 P17948 1/20 0.73
▸ LTK P29376 1/20 0.73
▸ KDR P35968 1/20 0.73
▸ CSNK1A1 P48729 1/20 0.73
▸ CLK2 P49760 1/20 0.73
▸ CDK7 P50613 1/20 0.73

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
SCHEMBL29434985 1.00 NTRK1 (0.73) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL18281508 1.00 NTRK1 (0.73) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL588730 1.00 NTRK1 (0.73) NTRK1AURKAJAK3JAK2IGF1R
Phosphoric Acid SCHEMBL3041888 0.95 NTRK1 (0.66) NTRK1AURKAJAK3JAK2IGF1R
Maleic Acid SCHEMBL4904780 0.93 NTRK1 (0.63) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL3034183 0.92 NTRK1 (0.71) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL3041951 0.91 NTRK1 (0.69) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL17433341 0.91 NTRK1 (0.59) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL588783 0.89 JAK3 (0.57) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL3036561 0.89 JAK2 (0.58) NTRK1AURKAJAK3JAK2IGF1R

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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