SCHEMBL24565502

SCHEMBL24565502

C/C=N\C(=C/C)c1nnc(-c2ccccn2)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.55
▸ KDM4E B2RXH2 12/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ LMNA P02545 5/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ CCR1 P32246 2/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ CCR8 P51685 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ DOHH Q9BU89 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ SMN1; SMN2 Q16637 7/20 0.38
▸ NPC1 O15118 7/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ HTT P42858 4/20 0.38
▸ ALOX15 P16050 4/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38

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
SCHEMBL21128809 0.86 TP53 (0.49) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL25493745 0.76 TP53 (0.47) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL21098282 0.74 TP53 (0.49) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL30694104 0.74 TP53 (1.00) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL2852298 0.74 TP53 (1.00) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL29767699 0.74 TP53 (1.00) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL19155631 0.73 KDM4E (0.50) KDM4ELMNACYP1A2POLBP4HTM
SCHEMBL21743332 0.73 KDM4E (0.50) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL18792399 0.72 ATM (0.37) KDM4ETDP1LMNACYP1A2POLB
SCHEMBL21903022 0.72 TP53 (0.42) TP53KDM4ETDP1LMNAHIF1A

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-3782823-B1 TIRES SUMITOMO RUBBER IND (JP) 2022-06-29 — — EP disclosed
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