SCHEMBL16654476

SCHEMBL16654476

NC(=O)c1c(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)n[nH]c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 19/20 0.63
NTRK1 P04629 1/20 0.57
CYP1A2 P05177 1/20 0.57
LCK P06239 1/20 0.57
YES1 P07947 1/20 0.57
RET P07949 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2D6 P10635 1/20 0.57
KIT P10721 1/20 0.57
CYP2C9 P11712 1/20 0.57
EIF2AK2 P19525 1/20 0.57
AXL P30530 1/20 0.57
CYP2C19 P33261 1/20 0.57
NEK4 P51957 1/20 0.57
MAP3K9 P80192 1/20 0.57
MAP3K10 Q02779 1/20 0.57
MERTK Q12866 1/20 0.57
PTK6 Q13882 1/20 0.57
IKBKE Q14164 1/20 0.57

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
SCHEMBL16654719 0.84 RIPK1 (0.71) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL16654450 0.81 RIPK1 (0.67) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL16660364 0.80 RIPK1 (0.66) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL868831 0.78 RIPK1 (0.65) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL16386454 0.78 RIPK1 (0.59) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL2427223 0.77 RIPK1 (0.59) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL868466 0.76 RIPK1 (1.00) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL14655478 0.76 RIPK1 (0.56) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL869066 0.76 RIPK1 (0.55) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL6925368 0.76 RIPK1 (0.73) RIPK1NTRK1CYP1A2LCKYES1

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
WO-2015056180-A1 INDOLINE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-23 WO disclosed
WO-2015056180-A1 INDOLINE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-23 WO disclosed