SCHEMBL30780322

SCHEMBL30780322

COc1ccccc1Nc1ncc(Br)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.56
MAPT P10636 6/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EGFR P00533 1/20 0.55
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 1/20 0.53
CDK19 Q9BWU1 1/20 0.49
ALK Q9UM73 1/20 0.49
PTK2 Q05397 1/20 0.49
MAPK10 P53779 1/20 0.49
AURKA O14965 2/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
IGF1R P08069 1/20 0.46

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
SCHEMBL30260564 0.83 LRRK2 (0.56) LRRK2MAPTALDH1A1KDM4EKMT2A
SCHEMBL22191522 0.83 LRRK2 (0.56) LRRK2MAPTALDH1A1KDM4EKMT2A
SCHEMBL20004385 0.82 EGFR (0.71) LRRK2MAPTALDH1A1KDM4EKMT2A
SCHEMBL22470355 0.81 IGF1R (0.48) LRRK2ALDH1A1KMT2AGAANPSR1
SCHEMBL22404952 0.80 IGF1R (0.49) LRRK2EGFRGAAAURKAIGF1R
SCHEMBL15330429 0.80 RAB9A (0.53) LRRK2MAPTALDH1A1KDM4EKMT2A
SCHEMBL11813903 0.78 MAPT (0.83) LRRK2MAPTALDH1A1KDM4EKMT2A
SCHEMBL28220480 0.77 MAPT (0.71) LRRK2MAPTALDH1A1KDM4EKMT2A
SCHEMBL3191755 0.75 MAPT (0.69) MAPTALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL22453043 0.75 KDM4E (0.57) MAPTALDH1A1KDM4EKMT2ASMN1; SMN2

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-4551559-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2/JAK1, COMPOSITION AND APPLICATION THEREOF Accro Bioscience (HK) Limited (HK) 2025-05-14 EP disclosed
WO-2024010963-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2/JAK1, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2024-01-11 WO disclosed