SCHEMBL10620437

SCHEMBL10620437

CSc1cc(CF)nc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.32
HSP90AB1 P08238 2/20 0.31
MEN1 O00255 1/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TSHR P16473 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL10901005 0.74 HSP90AB1 (0.48) HRH4MAPTHSP90AB1TSHRHSP90AA1
SCHEMBL763785 0.73 HRH4 (0.37) HRH4KMT2AMAPTHSP90AB1MEN1
SCHEMBL10618268 0.71 SMN1; SMN2 (0.40) HRH4KMT2AHSP90AB1ADORA2AADORA1
SCHEMBL6829600 0.71 HSP90AB1 (0.49) MAPTHSP90AB1TSHRHSP90AA1
SCHEMBL191457 0.69 KMT2A (0.59) KMT2AMAPTHSP90AB1MEN1HSP90AA1
SCHEMBL10619523 0.69 HSP90AB1 (0.56) HRH4KMT2AMAPTHSP90AB1MEN1
SCHEMBL10617499 0.69 ALDH1A1 (0.46) HRH4HSP90AB1ADORA2AHSP90AA1
SCHEMBL763729 0.67 TLR8 (0.42) HRH4KMT2AHSP90AB1MEN1
SCHEMBL10618233 0.67 NPC1 (0.51) HRH4
SCHEMBL27828127 0.67 ALDH1A1 (0.47) HSP90AB1HEXAHEXBADORA2AADORA1

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
US-4723006-A CHEMICAL INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1988-02-02 US disclosed
EP-0111440-A1 2-Aminopyrimidines, their production and use CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed