SCHEMBL23935172

SCHEMBL23935172

Clc1ccc2ncc3nc(Cc4ccon4)[nH]c3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRA2 P47869 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
EGFR P00533 4/20 0.34
ERBB2 P04626 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34

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
SCHEMBL23934973 0.86 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23934968 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18606528 0.83 LRRK2 (0.36) LRRK2
SCHEMBL18606559 0.83 KMT2A (0.36) EGFRERBB2
SCHEMBL18658935 0.82 LRRK2 (0.49) LRRK2
SCHEMBL23934990 0.81 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23935118 0.80 LRRK2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18658760 0.80 F2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18658759 0.80 ALDH1A1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25022265 0.79 LRRK2 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed