Sugi Predict

Sugi Predict / Compounds / SCHEMBL29782619

SCHEMBL29782619

SCHEMBL29782619

Cc1c(-c2ccc(C(N)=O)c3[nH]ccc23)cccc1-n1cnc2cc(F)ccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 1.00
▸ JAK2 O60674 1/20 0.54
▸ NTRK1 P04629 1/20 0.54
▸ LCK P06239 1/20 0.54
▸ LYN P07948 1/20 0.54
▸ RET P07949 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ TEC P42680 1/20 0.54
▸ TXK P42681 1/20 0.54
▸ BLK P51451 1/20 0.54
▸ BMX P51813 1/20 0.54
▸ ITK Q08881 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ ERBB4 Q15303 1/20 0.54
▸ NTRK2 Q16620 1/20 0.54

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
SCHEMBL17699541 1.00 BTK (1.00) BTKJAK2NTRK1LCKLYN
SCHEMBL29782719 0.93 BTK (1.00) BTKJAK2NTRK1LCKLYN
SCHEMBL17699650 0.93 BTK (1.00) BTKJAK2NTRK1LCKLYN
SCHEMBL16337213 0.89 BTK (1.00) BTKJAK2NTRK1LCKLYN
SCHEMBL29782799 0.89 BTK (1.00) BTKJAK2NTRK1LCKLYN
SCHEMBL29782473 0.85 BTK (1.00) BTKJAK2NTRK1LCKLYN
SCHEMBL17699844 0.85 BTK (1.00) BTKJAK2NTRK1LCKLYN
SCHEMBL29782717 0.84 BTK (1.00) BTK
SCHEMBL17699949 0.84 BTK (1.00) BTK
SCHEMBL17699567 0.81 BTK (1.00) BTKJAK2NTRK1LCKLYN

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-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 — — CN disclosed