SCHEMBL31060493

SCHEMBL31060493

Nc1[nH]nc(N=Nc2n[nH]cc2-c2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.42
▸ ACHE P22303 5/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.41
▸ MKNK2 Q9HBH9 3/20 0.41
▸ LMNA P02545 1/20 0.39
▸ PIM1 P11309 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ CSF1R P07333 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36

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
SCHEMBL23728199 0.71 ALDH1A1 (0.39) LMNAGAACSF1RKDRCDK5
SCHEMBL8999359 0.70 LRRK2 (0.35) ACHEMKNK1MKNK2
SCHEMBL544598 0.69 MAP4K4 (0.48) GSK3BACHEMKNK1MKNK2LMNA
SCHEMBL5236193 0.64 ALDH1A1 (0.68) GSK3BLMNAGAACSF1RKDR
SCHEMBL218119 0.64 ALOX15 (0.52) LMNAGAAKDRMAPTGFER
SCHEMBL2581914 0.61 BACE1 (0.44) LMNACSF1RKDRCDK5CLK4
SCHEMBL3379956 0.61 AKT2 (0.44) ALDH1A1KMT2A
SCHEMBL28197453 0.61 ALOX15 (0.43) LMNAGAACSF1RKDRCDK5
SCHEMBL25272042 0.61 CYP2A6 (0.43) LMNACSF1RKDRCDK5CLK4
SCHEMBL6971232 0.61 AKT1 (0.39) GSK3BMKNK2LMNAPIM1CSF1R

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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